SCHEMBL1643686

SCHEMBL1643686

NC1CCCCC1N1CCCCC1=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 13/20 0.43
▸ DPP8 Q6V1X1 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1643687 1.00 DPP4 (0.43) DPP4DPP8ALDH1A1
Hydrochloric Acid SCHEMBL20959314 0.98 DPP4 (0.42) DPP4DPP8ALDH1A1
Hydrochloric Acid SCHEMBL20959120 0.92 DPP4 (0.41) DPP4DPP8
SCHEMBL179043 0.77 CHRNB2 (0.40) DPP4DPP8
SCHEMBL13186517 0.77 CHRNB2 (0.40) DPP4DPP8
SCHEMBL19271810 0.75 NOS3 (0.43) DPP4DPP8ALDH1A1
SCHEMBL868782 0.74 NOS3 (0.42) DPP4DPP8
SCHEMBL1954285 0.74 NOS3 (0.42) DPP4DPP8
SCHEMBL8031217 0.74 NOS3 (0.42) DPP4DPP8
SCHEMBL867932 0.74 NOS3 (0.42) DPP4DPP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4666533-B2 — — 2011-04-06 — — JP claimed
EP-1833782-B1 CYCLOALKYLAMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 — — EP claimed
US-7411093-B2 Aminocycloalkanes as DPP-IV inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-08-12 — — US claimed
JP-2008524279-A — — 2008-07-10 — — JP claimed
EP-1833782-A1 CYCLOALKYLAMINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-19 — — EP claimed
WO-2006066770-A1 CYCLOALKYLAMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO claimed
US-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 — — US claimed
EP-1833782-B1 CYCLOALKYLAMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 — — EP disclosed
US-7411093-B2 Aminocycloalkanes as DPP-IV inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-08-12 — — US disclosed
EP-1833782-A1 CYCLOALKYLAMINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-19 — — EP disclosed
WO-2006066770-A1 CYCLOALKYLAMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO disclosed
US-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors DPP4, DPP7, DPP3 DPP4 1/4885DPP8 4/4885ALDH1A1 245/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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